(2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide

C13H23F3N2O3 — CID 96516466

IUPAC(2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)N[C@@H](C)COCC(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C13H23F3N2O3/c1-4-11-6-18(5-10(3)21-11)12(19)17-9(2)7-20-8-13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19)/t9-,10-,11+/m0/s1
InChIKeyGSNQIVLRNVUZQT-GARJFASQSA-N
MW312.33 g/mol
LogP2.16
Rot. Bonds5

About (2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide

(2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide (PubChem CID 96516466) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is (2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide
PubChem CID96516466
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name(2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)N[C@@H](C)COCC(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C13H23F3N2O3/c1-4-11-6-18(5-10(3)21-11)12(19)17-9(2)7-20-8-13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19)/t9-,10-,11+/m0/s1
InChIKeyGSNQIVLRNVUZQT-GARJFASQSA-N
XLogP2.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoropropyl)-3-methoxypiperidine-1-carboxamide
CID 75439641
N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
CID 118740666
N-(pentan-2-yl)morpholine-4-carboxamide
CID 3137306
N-(pentan-3-yl)morpholine-4-carboxamide
CID 787327
N-(1-methoxypropan-2-yl)morpholine-4-carboxamide
CID 2904482
(2S,6R)-2,6-dimethyl-N-(4-propan-2-yloxybutyl)morpholine-4-carboxamide
CID 75502454
(2S)-N-(3-fluorobutyl)-2-methylmorpholine-4-carboxamide
CID 126793875
3-cyclobutyloxy-N-(1,1-difluorobutan-2-yl)piperidine-1-carboxamide
CID 132363634
(3S,5R)-N-[(3R,4R)-4-methoxyoxolan-3-yl]-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 164641443
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)morpholine-4-carboxamide
CID 5154894
N-[(3S)-3-amino-4-fluorobutyl]morpholine-4-carboxamide
CID 68244754
ethane;N-(2-methylpropyl)-3-(trifluoromethyl)morpholine-4-carboxamide
CID 164555235

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide (CID 96516466) is (2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide is CC[C@@H]1CN(C(=O)N[C@@H](C)COCC(F)(F)F)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is GSNQIVLRNVUZQT-GARJFASQSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-4-11-6-18(5-10(3)21-11)12(19)17-9(2)7-20-8-13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19)/t9-,10-,11+/m0/s1.
What are the key properties of (2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide?
(2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-ethyl-6-methyl-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 96516466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).